Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules

Autoionization widths by Stieltjes imaging applied to Lanczos pseudospectra

(2011) S. Kopelke et al.   JOURNAL OF CHEMICAL PHYSICS

Bethe-Salpeter equation calculations of core excitation spectra

(2011) J. Vinson et al.   PHYSICAL REVIEW B

Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method

(2010) Peter Seidler et al.   JOURNAL OF CHEMICAL PHYSICS

Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2

(2010) Mario R. Silva-Junior et al.   MOLECULAR PHYSICS

Time-dependent density functional theory calculations of the spectroscopy of core electrons

(2010) Nicholas A. Besley et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio theory and calculations of X-ray spectra

(2008) John J. Rehr et al.   COMPTES RENDUS PHYSIQUE

Turbo charging time-dependent density-functional theory with Lanczos chains

(2008) Dario Rocca et al.   JOURNAL OF CHEMICAL PHYSICS